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72190657
 
#1

Acorn PharmaTech: ACN-C001179
Chembo Pharma: KB-208500
Alfa Chemistry (Depleted): ACM31181869
PubChem: 56956238
ref: mol2, SDF, SMILES, flexibase
0.38,0.57,-6.13,1,3,0, 152.197, 2
mid: mol2, SDF, SMILES, flexibase
0.38,0.99,-27.36,2,3,1, 153.205, 2
2004524
 
#2

Acorn PharmaTech: ACN-001177
Chembo Pharma: KB-219614
ChemDB: 7598691
Leadscope via PubChem: LS-128914
PubChem: 70516...6 total

ref: mol2, SDF, SMILES, flexibase
1.07,4.09,-11.99,0,3,0, 160.176, 1
mid: mol2, SDF, SMILES, flexibase
1.17,4.48,-25.88,1,3,0, 160.176, 1
72190656
 
#3

Acorn PharmaTech: ACN-P001163
SureChEMBL: SCHEMBL216691
ref: mol2, SDF, SMILES, flexibase
-0.69,-0.52,-28.47,5,4,1, 114.128, 1
hi: mol2, SDF, SMILES, flexibase
-0.69,-0.98,-7.84,4,4,0, 113.12, 1
hi: mol2, SDF, SMILES, flexibase
-0.69,-1.01,-9.44,4,4,0, 113.12, 1
10342264
 
#4

ChemMol: 44021904, 97805672
eMolecules: 875229
Molport: MolPort-016-580-514, MolPort-000-882-723
Scientific Exchange (make on demand): F-405517
Acorn PharmaTech: ACN-P001161...41 total

ref: mol2, SDF, SMILES, flexibase
-0.40,-1.7,-9.01,3,4,0, 125.131, 1
ref: mol2, SDF, SMILES, flexibase
-0.40,-1.66,-8.89,3,4,0, 125.131, 1

Similar to: 33845297,
32445497
 
#5

eMolecules: 31601014, 1532068
Molport: MolPort-016-583-089
Scientific Exchange Building Blocks: F-415562
Acorn PharmaTech: ACN-P001157
Aldrich CPR: CBR00640|ALDRICH...26 total

ref: mol2, SDF, SMILES, flexibase
1.12,3.47,-113.98,4,2,2, 158.289, 2
mid: mol2, SDF, SMILES, flexibase
1.12,2.99,-27.63,3,2,1, 157.281, 2
mid: mol2, SDF, SMILES, flexibase
1.12,1.5,-39.12,3,2,1, 157.281, 2

Similar to: 19727528,
5957399
 
#6

Acorn PharmaTech: ACN-P001156
AK Scientific: Z1726
Chembo Pharma: KB-286613
Alfa Chemistry (Depleted): ACM55154308
PubChem: 187760...9 total

ref: mol2, SDF, SMILES, flexibase
4.42,8.58,-47.31,2,3,1, 330.279, 4
39075373
 
#7

Acorn PharmaTech: ACN-P001155
PubChem: 10608167
ref: mol2, SDF, SMILES, flexibase
1.54,5.46,-7.47,1,4,0, 202.213, 3
34404918
 
#8

Acorn PharmaTech: ACN-P001154
IBM Patent Data: 136163973
PubChem: 14883780
ref: mol2, SDF, SMILES, flexibase
1.91,6.38,-7.23,1,4,0, 216.24, 4

Similar to: 25976778,
67175664
 
#9

Acorn PharmaTech: ACN-P001153
AK Scientific: 5382AB
AKOS: AKOS015843437
Anward: ANW-72253
Ark Pharm Building Blocks: AK-45513...14 total

ref: mol2, SDF, SMILES, flexibase
0.46,3.43,-8.74,1,4,0, 154.169, 3
ref: mol2, SDF, SMILES, flexibase
0.46,3.41,-7.87,1,4,0, 154.169, 3
72190655
 
#10

Acorn PharmaTech: ACN-C001149
Ark Pharm Building Blocks: AK123473
Chembo Pharma: KB-253342
PubChem: 55277250
SureChEMBL: SCHEMBL2599594...5 total

ref: mol2, SDF, SMILES, flexibase
2.37,5.24,-5.73,0,3,0, 199.637, 3
72190654
 
#11

eMolecules: 31745627
Molport: MolPort-017-263-987
Acorn PharmaTech: ACN-P001147
Mcule: MCULE-7604398248
Molport BB: MolPort-017-263-987...12 total

ref: mol2, SDF, SMILES, flexibase
1.39,4.07,-7.18,0,4,0, 190.149, 4
72190653
 
#12

eMolecules: 31745661
Molport: MolPort-017-263-999
Acorn PharmaTech: ACN-P001146
Mcule: MCULE-8579733688
Molport BB: MolPort-017-263-999...12 total

ref: mol2, SDF, SMILES, flexibase
1.39,4.06,-9.61,0,4,0, 190.149, 4
72190652
 
#13

Acorn PharmaTech: ACN-C001138
American Custom Chemicals Corp.: CHM0164056
Debye Scientific BB (Depleted): DA-09036
ref: mol2, SDF, SMILES, flexibase
0.58,2.49,-59.89,1,6,-1, 219.176, 2
1648096
 
#14

Acorn PharmaTech: ACN-C001137
ChEMBL19: CHEMBL1977099
ChemDB: 4935218
PubChem: 387926
ref: mol2, SDF, SMILES, flexibase
0.97,3.86,-60.84,1,5,-1, 203.177, 1
403086
 
#15

Molport: MolPort-006-116-668
Scientific Exchange (make on demand): F-137754
Acorn PharmaTech: ACN-C001131
Acros Organics: 37979
Ark Pharm Building Blocks: AK-94088...14 total

ref: mol2, SDF, SMILES, flexibase
-1.76,3.83,-35.11,3,5,1, 150.165, 0
mid: mol2, SDF, SMILES, flexibase
-1.76,3.34,-20.04,2,5,0, 149.157, 0
hi: mol2, SDF, SMILES, flexibase
-1.76,3.87,-13.83,2,5,0, 149.157, 0
hi: mol2, SDF, SMILES, flexibase
-1.76,3.42,-45.12,1,5,-1, 148.149, 0

Similar to: 38265602,
72190651
 
#16

Molport: MolPort-027-713-915
Acorn PharmaTech: ACN-C001121
Ark Pharm Building Blocks: AK167149
Enamine Building Blocks: EN300-120378
Molport BB: MolPort-027-713-915...7 total

ref: mol2, SDF, SMILES, flexibase
1.08,3.2,-9.87,1,4,0, 172.159, 3
mid: mol2, SDF, SMILES, flexibase
1.08,3.18,-6.26,1,4,0, 172.159, 3
34592264
 
#17

Acorn PharmaTech: ACN-C001120
AK Scientific: X3413
PubChem: 15577026
ref: mol2, SDF, SMILES, flexibase
0.48,1.71,-11.17,1,4,0, 144.105, 2
72190650
 
#18

Acorn PharmaTech: ACN-P001116
PubChem: 56956234
ref: mol2, SDF, SMILES, flexibase
1.19,2.68,-48.25,3,3,1, 158.221, 4
72190649
 
#19

ChemMol: 44034207
Molport: MolPort-022-470-371
Acorn PharmaTech: ACN-P001109
AK Scientific: Z5285, W8501
AKOS: AKOS015919650...36 total

ref: mol2, SDF, SMILES, flexibase
-0.40,2.66,-7.24,2,3,0, 97.121, 0
mid: mol2, SDF, SMILES, flexibase
-0.40,3.16,-28.84,3,3,1, 98.129, 0
mid: mol2, SDF, SMILES, flexibase
-0.40,2.39,-38.16,3,3,1, 98.129, 0
5286233
 
#20

ChemMol: 44028900
Acorn PharmaTech: ACN-P001086
AK Scientific: 0291AC
Aldrich CPR: CDS008334|ALDRICH
Apexmol Building Blocks: AM804212...28 total

ref: mol2, SDF, SMILES, flexibase
1.16,1.29,-9.07,2,3,0, 134.138, 0
hi: mol2, SDF, SMILES, flexibase
0.28,2,-49.82,0,3,-1, 133.13, 0
lo: mol2, SDF, SMILES, flexibase
1.16,2.54,-40.51,2,3,0, 134.138, 0
72190648
 
#21

Acorn PharmaTech: ACN-P001078
Ark Pharm Building Blocks: AK139817
Debye Scientific BB (Depleted): DA-16739
IBM Patent Data: 135882143, 136319380
PubChem: 67715163...9 total

ref: mol2, SDF, SMILES, flexibase
1.09,4.94,-8.41,0,4,0, 182.186, 0
72190647
 
#22

Acorn PharmaTech: ACN-C001064
Ark Pharm Building Blocks: AK139812
PubChem: 53415660
ref: mol2, SDF, SMILES, flexibase
3.07,8.36,-6.52,0,3,0, 281.153, 3
mid: mol2, SDF, SMILES, flexibase
3.07,8.83,-27.85,1,3,1, 282.161, 3
72190646
 
#23

Acorn PharmaTech: ACN-P001054
Ark Pharm Building Blocks: AK139809
Synblock: AB74785
PubChem: 56956232
ref: mol2, SDF, SMILES, flexibase
1.26,1.95,-20.35,1,2,0, 145.108, 1
mid: mol2, SDF, SMILES, flexibase
1.26,1.54,-38.37,0,2,-1, 144.1, 1
mid: mol2, SDF, SMILES, flexibase
1.26,0.77,-6.59,1,2,0, 145.108, 1
72190645
 
#24

Acorn PharmaTech: ACN-P001053
Ark Pharm Building Blocks: AK139808
PubChem: 56956231
ref: mol2, SDF, SMILES, flexibase
1.58,5.73,-14.59,2,6,0, 245.238, 5
hi: mol2, SDF, SMILES, flexibase
1.58,5.38,-43.22,1,6,-1, 244.23, 5
72190644
 
#25

Acorn PharmaTech: ACN-P001052
Ark Pharm Building Blocks: AK139807
PubChem: 12003569
ref: mol2, SDF, SMILES, flexibase
1.17,3.76,-13.48,2,6,0, 211.221, 4
mid: mol2, SDF, SMILES, flexibase
1.17,3.42,-42.57,1,6,-1, 210.213, 4
mid: mol2, SDF, SMILES, flexibase
1.17,3.71,-6.54,2,6,0, 211.221, 4
34370101
 
#26

Acorn PharmaTech: ACN-P001051
Ark Pharm Building Blocks: AK139806
BOC Sciences BB: 133746-66-4
Chemstep: 74731
Synblock: AB57912...6 total

ref: mol2, SDF, SMILES, flexibase
-0.24,1.78,-34.44,4,4,1, 112.112, 1
mid: mol2, SDF, SMILES, flexibase
-0.24,1.33,-16.12,3,4,0, 111.104, 1
72190643
 
#27

ChemMol: 44034326
Molport: MolPort-021-783-478
Acorn PharmaTech: ACN-C001045
Apexmol Building Blocks: AM91587
Ark Pharm Building Blocks: AK-52710...12 total

ref: mol2, SDF, SMILES, flexibase
1.20,2.17,-5.15,0,3,0, 158.588, 2
72190642
 
#28

Molport: MolPort-020-249-821
Acorn PharmaTech: ACN-P001044
AK Scientific: Y4464
Ark Pharm Building Blocks: AK142016
Molport BB: MolPort-020-249-821...7 total

ref: mol2, SDF, SMILES, flexibase
0.31,-0.65,-39.02,1,5,-1, 141.106, 2
72190641
 
#29

Acorn PharmaTech: ACN-P001036
PubChem: 56956230
ref: mol2, SDF, SMILES, flexibase
0.57,-0.59,-5.73,1,5,0, 156.141, 3
12395990
 
#30

eMolecules: 17083500
Molport: MolPort-002-784-292
Acorn PharmaTech: ACN-P001034
Apexmol Building Blocks: AM805848
Life Chemicals Building Blocks: F2130-0122...16 total

ref: mol2, SDF, SMILES, flexibase
2.18,5.33,-8.71,1,4,0, 220.203, 3
ref: mol2, SDF, SMILES, flexibase
2.18,5.26,-7.88,1,4,0, 220.203, 3

Similar to: 32190737, 32222585, 4607100,
15442854
 
#31

Molport: MolPort-002-500-494
Acorn PharmaTech: ACN-P001031
Aldrich CPR: JRD0028|ALDRICH
Chembo Pharma: KB-201494
Combi-Blocks: QB-2773...22 total

ref: mol2, SDF, SMILES, flexibase
2.60,6.19,-6.07,1,4,0, 234.23, 4

Similar to: 32206513, 4607100,
4674345
 
#32

eMolecules: 835281
ACB Blocks: MIX-0564
Acorn PharmaTech: ACN-P001028
Enamine Building Blocks: EN300-59050
IBScreen: STOCK7S-04317...28 total

ref: mol2, SDF, SMILES, flexibase
2.34,4.08,-5.25,1,4,0, 182.223, 3

Similar to: 4955324, 44242583, 44242587, 44242594, 44242598, ... 5 in total.
72190640
 
#33

Acorn PharmaTech: ACN-C001015
Ark Pharm Building Blocks: AK139801
PubChem: 56956228
SureChEMBL: SCHEMBL6108041
ref: mol2, SDF, SMILES, flexibase
4.57,7.69,-45.32,0,4,-1, 297.208, 5
72190639
 
#34

Acorn PharmaTech: ACN-000998
Ark Pharm Building Blocks: AK139798
Chembo Pharma: KB-194742
Debye Scientific BB (Depleted): DA-16738
PubChem: 55290757...6 total

ref: mol2, SDF, SMILES, flexibase
-1.26,-1.89,-16.33,3,5,0, 139.114, 1
mid: mol2, SDF, SMILES, flexibase
-0.81,-4,-44.49,2,5,-1, 138.106, 1
72190638
 
#35

Acorn PharmaTech: ACN-000995
Ark Pharm Building Blocks: AK139796
PubChem: 56956227
ref: mol2, SDF, SMILES, flexibase
0.73,-0.3,-8.14,1,5,0, 183.163, 3
hi: mol2, SDF, SMILES, flexibase
0.73,0.62,-39.64,0,5,-1, 182.155, 3
2559583
 
#36

ChemMol: 44033212, 96705696
Molport: MolPort-016-578-786
Acorn PharmaTech: ACN-000989, ACN-000990
AK Scientific: 3947AB, 0601AA, W5533
Angene Building Blocks: AGN-PC-0O91VO...51 total

ref: mol2, SDF, SMILES, flexibase
-0.17,0.85,-15.33,1,3,0, 98.105, 0
mid: mol2, SDF, SMILES, flexibase
0.29,-0.4,-41.81,0,3,-1, 97.097, 0
72190637
 
#37

Acorn PharmaTech: ACN-000986
Ark Pharm Building Blocks: AK139791
Chembo Pharma: KB-270230, KB-97098
Tractus: TRA0139262
PubChem: 57354326...8 total

ref: mol2, SDF, SMILES, flexibase
2.12,5.89,-54.4,0,3,-1, 178.211, 2
lo: mol2, SDF, SMILES, flexibase
2.12,6.08,-30.89,1,3,0, 179.219, 2
4714979
 
#38

eMolecules: 10153244
Molport: MolPort-005-306-874
Acorn PharmaTech: ACN-000979
AK Scientific: Y6699, Y9850
Anward: ANW-59806...26 total

ref: mol2, SDF, SMILES, flexibase
0.94,4.15,-14.98,1,5,0, 191.972, 1
mid: mol2, SDF, SMILES, flexibase
0.94,4.65,-45.43,2,5,1, 192.98, 1
mid: mol2, SDF, SMILES, flexibase
0.94,4.22,-9.06,1,5,0, 191.972, 1
hi: mol2, SDF, SMILES, flexibase
0.94,3.69,-28.94,0,5,-1, 190.964, 1
72190636
 
#39

Acorn PharmaTech: ACN-P000962
PubChem: 56956226
ref: mol2, SDF, SMILES, flexibase
0.64,2.65,-7.34,0,4,0, 176.175, 1
35653784
 
#40

Acorn PharmaTech: ACN-P000961
Alfa-Aesar: H36911
Ark Pharm Building Blocks: AK139785
Chembo Pharma: KB-252402
BOC Sciences BB (Depleted): 25028-32-4...7 total

ref: mol2, SDF, SMILES, flexibase
1.55,4.89,-9.83,0,4,0, 193.202, 4
35653782
 
#41

Acorn PharmaTech: ACN-P000960
Ark Pharm Building Blocks: AK139784
Debye Scientific BB (Depleted): DA-16772
SureChEMBL: SCHEMBL6236560
ref: mol2, SDF, SMILES, flexibase
0.92,3.92,-47.62,0,4,-1, 164.14, 2
35653788
 
#42

Acorn PharmaTech: ACN-C000959
Ark Pharm Building Blocks: AK139783
Tractus: TRA0162231
PubChem: 55264852
ref: mol2, SDF, SMILES, flexibase
0.79,3.03,-7.39,0,3,0, 149.149, 2
72190635
 
#43

Acorn PharmaTech: ACN-P000947
Ark Pharm Building Blocks: AK129436
Capot Chemical: 23498
Chembo Pharma: KB-16055
Synblock: AB65503...7 total

ref: mol2, SDF, SMILES, flexibase
1.26,3.02,-51.36,2,2,1, 189.16, 1
mid: mol2, SDF, SMILES, flexibase
1.26,1.53,-6.56,1,2,0, 188.152, 1
18531875
 
#44

Acorn PharmaTech: ACN-P000946
PubChem: 56956224
ref: mol2, SDF, SMILES, flexibase
-0.04,0.66,-59.49,3,3,1, 137.162, 0
hi: mol2, SDF, SMILES, flexibase
-0.04,-0.85,-9.49,2,3,0, 136.154, 0
72190634
 
#45

Acorn PharmaTech: ACN-P000945
Ark Pharm Building Blocks: AK129480
Capot Chemical: 23499
Chembo Pharma: KB-24954
Synblock: AB74755...6 total

ref: mol2, SDF, SMILES, flexibase
0.70,0.48,-46.67,2,3,1, 151.189, 1
hi: mol2, SDF, SMILES, flexibase
0.70,-1.01,-5.79,1,3,0, 150.181, 1
72190633
 
#46

Acorn PharmaTech: ACN-C000944
Zylexa Pharma BB: ZP-BB-AL008309
AKOS BB (make-on-demand): AKOS015951098
PubChem: 53338776
ref: mol2, SDF, SMILES, flexibase
5.84,9.77,-5.58,0,1,0, 462.068, 3
72190632
 
#47

Acorn PharmaTech: ACN-C000937
Ark Pharm Building Blocks: AK139781
Capot Chemical: 23505
Chembo Pharma: KB-266206
Sphinx Make-on-demand: PPC-1-0178...5 total

ref: mol2, SDF, SMILES, flexibase
2.58,5.57,-9.38,0,5,0, 312.167, 3
72190631
 
#48

Acorn PharmaTech: ACN-P000931
Ark Pharm Building Blocks: AK139780
Capot Chemical: 23613
PubChem: 56956221
SureChEMBL: SCHEMBL3590668...5 total

ref: mol2, SDF, SMILES, flexibase
1.98,1.85,-41.23,0,4,-1, 216.163, 4
mid: mol2, SDF, SMILES, flexibase
1.52,3.79,-8.35,1,4,0, 217.171, 4
72190630
 
#49

Acorn PharmaTech: ACN-C000930
Ark Pharm Building Blocks: AK139779
Capot Chemical: 23614
PubChem: 56956220
ref: mol2, SDF, SMILES, flexibase
2.24,4.64,-42.25,0,3,-1, 206.555, 2
72190629
 
#50

Acorn PharmaTech: ACN-C000929
Ark Pharm Building Blocks: AK139778
Capot Chemical: 23615
Fluorochem: 336481
Synblock: AB67782...8 total

ref: mol2, SDF, SMILES, flexibase
1.38,0.11,-8.47,1,3,0, 157.556, 1
hi: mol2, SDF, SMILES, flexibase
1.38,2.42,-41.41,0,3,-1, 156.548, 1
72190628
 
#51

Acorn PharmaTech: ACN-P000928
Ark Pharm Building Blocks: AK139777
Capot Chemical: 23616
Enamine Building Blocks: EN300-93714
PubChem: 56956218...5 total

ref: mol2, SDF, SMILES, flexibase
1.85,1.84,-6.43,1,4,0, 187.582, 2
hi: mol2, SDF, SMILES, flexibase
1.85,2.82,-38.93,0,4,-1, 186.574, 2
45795828
 
#52

Acorn PharmaTech: ACN-P000927
Ark Pharm Building Blocks: AK139776
Capot Chemical: 23617
Chemstep: 32084
Debye Scientific BB (Depleted): DA-16764...6 total

ref: mol2, SDF, SMILES, flexibase
0.23,0.98,-114.82,1,5,-2, 153.093, 1
34598835
 
#53

Acorn PharmaTech: ACN-C000925
Ark Pharm Building Blocks: AK139775
Capot Chemical: 23618
Chembo Pharma: KB-241983
Tractus: TRA0049767...11 total

ref: mol2, SDF, SMILES, flexibase
0.81,3.95,-4.96,0,2,0, 108.144, 1

Similar to: 2026722, 388629,
72190627
 
#54

Acorn PharmaTech: ACN-P000920
AK Scientific: 7269AB
Amadis Chemical: A846591
Anward: ANW-65570
Ark Pharm Building Blocks: AK-94822...11 total

ref: mol2, SDF, SMILES, flexibase
1.28,1.2,-8.72,1,3,0, 174.985, 1
mid: mol2, SDF, SMILES, flexibase
1.28,1.18,-7.44,1,3,0, 174.985, 1
33949376
 
#55

Acorn PharmaTech: ACN-P000918
AK Scientific: Z5364, 7033AA
Angene Building Blocks: AGN-PC-0LTE21
Anward: ANW-56697
Ark Pharm Building Blocks: AK-64806...30 total

ref: mol2, SDF, SMILES, flexibase
0.81,1.62,-9.73,0,2,0, 102.524, 0
mid: mol2, SDF, SMILES, flexibase
1.12,1.35,-3.24,1,2,0, 102.524, 0
mid: mol2, SDF, SMILES, flexibase
1.12,1.38,-6.06,1,2,0, 102.524, 0
39075957
 
#56

Acorn PharmaTech: ACN-P000901
Ark Pharm Building Blocks: AK139774
Capot Chemical: 23633
Enamine BB Make on Demand: BBV-42994347
UORSY BB Make-on-demand: BBV-42994347...5 total

ref: mol2, SDF, SMILES, flexibase
2.65,7.08,-12.96,1,3,0, 216.284, 3
mid: mol2, SDF, SMILES, flexibase
3.11,5.35,-6.72,1,3,0, 216.284, 3
72190626
 
#57

Acorn PharmaTech: ACN-P000900
Ark Pharm Building Blocks: AK139773
Capot Chemical: 23634
PubChem: 56956215
ref: mol2, SDF, SMILES, flexibase
4.13,8.66,-5.78,0,2,0, 279.181, 3
72190625
 
#58

Acorn PharmaTech: ACN-P000899
Ark Pharm Building Blocks: AK139772
Capot Chemical: 23635
PubChem: 56956214
SureChEMBL: SCHEMBL15331895...5 total

ref: mol2, SDF, SMILES, flexibase
3.85,8.44,-8.7,0,3,0, 307.191, 4
72190624
 
#59

Acorn PharmaTech: ACN-P000898
Ark Pharm Building Blocks: AK139771
Capot Chemical: 23636
PubChem: 56956213
SureChEMBL: SCHEMBL14694239...5 total

ref: mol2, SDF, SMILES, flexibase
4.32,8.88,-7.7,0,3,0, 329.197, 3
9482106
 
#60

eMolecules: 2157393, 7693380
Molport: MolPort-002-206-403, MolPort-002-989-716
Scientific Exchange: E-009726
Scientific Exchange (make on demand): F-157430
Acorn PharmaTech: ACN-P000897...47 total

ref: mol2, SDF, SMILES, flexibase
3.06,7.47,-10.88,0,4,0, 266.3, 3
ref: mol2, SDF, SMILES, flexibase
2.84,7.21,-13.57,1,4,0, 266.3, 3
mid: mol2, SDF, SMILES, flexibase
3.29,5.29,-9.15,1,4,0, 266.3, 3

Similar to: 34538501, 34538582, 34538612, 34538614, 34538628, ... 6 in total.
72190623
 
#61

Acorn PharmaTech: ACN-P000895
Ark Pharm Building Blocks: AK139769
Capot Chemical: 23638
Chembo Pharma: KB-260195
Otava (Virtual): 6349988...8 total

ref: mol2, SDF, SMILES, flexibase
1.38,4.47,-12.45,1,5,0, 197.238, 2
72190622
 
#62

Acorn PharmaTech: ACN-P000894
Ark Pharm Building Blocks: AK139768
Capot Chemical: 23639
Debye Scientific BB (Depleted): DA-16765
SureChEMBL: SCHEMBL8970761...5 total

ref: mol2, SDF, SMILES, flexibase
1.79,6.43,-14.22,1,5,0, 231.255, 3
72190621
 
#63

Acorn PharmaTech: ACN-P000888
Ark Pharm Building Blocks: AK139766
Capot Chemical: 23645
ChemDiv BuildingBlocks: BB20-0345
ChEMBL19: CHEMBL2153106...6 total

ref: mol2, SDF, SMILES, flexibase
1.51,8.64,-12.9,0,5,0, 207.164, 2
72190620
 
#64

Acorn PharmaTech: ACN-C000887
Ark Pharm Building Blocks: AK139765
Capot Chemical: 23646
Synblock: AB68821
Zylexa Pharma BB: ZP-BB-MP009711...8 total

ref: mol2, SDF, SMILES, flexibase
1.04,5.77,-7.03,2,3,0, 177.182, 1
mid: mol2, SDF, SMILES, flexibase
1.04,6.27,-33.69,3,3,1, 178.19, 1
mid: mol2, SDF, SMILES, flexibase
1.04,5.49,-43.23,3,3,1, 178.19, 1
72190619
 
#65

Acorn PharmaTech: ACN-P000883
Ark Pharm Building Blocks: AK165106
Tractus: TRA0130162
PubChem: 56956210
ref: mol2, SDF, SMILES, flexibase
1.38,4.93,-56.8,0,4,-1, 167.188, 2
72190618
 
#66

Acorn PharmaTech: ACN-C000881
Ark Pharm Building Blocks: AK139764
Capot Chemical: 23650
AKOS (Depleted): AKOS004118160
SureChEMBL: SCHEMBL10340622...5 total

ref: mol2, SDF, SMILES, flexibase
0.12,1.86,-34.81,1,5,-1, 136.09, 1
mid: mol2, SDF, SMILES, flexibase
0.12,1.89,-42.84,1,5,-1, 136.09, 1
hi: mol2, SDF, SMILES, flexibase
0.12,1.74,-99.62,0,5,-2, 135.082, 1
72190617
 
#67

Acorn PharmaTech: ACN-P000874
PubChem: 56956209
ref: mol2, SDF, SMILES, flexibase
2.02,5.85,-6.2,0,4,0, 196.25, 4
72190616
 
#68

Acorn PharmaTech: ACN-C000872
Ark Pharm Building Blocks: AK139761
Capot Chemical: 23655
Chembo Pharma: KB-251806
PubChem: 56956208...5 total

ref: mol2, SDF, SMILES, flexibase
2.44,7.39,-10.62,0,4,0, 234.23, 4
72190615
 
#69

Acorn PharmaTech: ACN-P000871
PubChem: 56956207
ref: mol2, SDF, SMILES, flexibase
1.60,4.04,-7.39,0,3,0, 152.197, 2
72190614
 
#70

Molport: MolPort-022-371-826
Acorn PharmaTech: ACN-P000870
AK Scientific: Y6217
Apexmol Building Blocks: AM20040407
Ark Pharm Building Blocks: AK139760...12 total

ref: mol2, SDF, SMILES, flexibase
1.69,5.41,-13.92,0,3,0, 172.187, 2
72190613
 
#71

Acorn PharmaTech: ACN-000854
ref: mol2, SDF, SMILES, flexibase
2.69,3.95,-7.82,1,4,0, 234.708, 3
72190612
 
#72

Acorn PharmaTech: ACN-000841
PubChem: 56956206
ref: mol2, SDF, SMILES, flexibase
1.80,4.4,-5.19,0,4,0, 297.934, 2
72190611
 
#73

Acorn PharmaTech: ACN-P000792
PubChem: 56956205
ref: mol2, SDF, SMILES, flexibase
2.11,5.98,-10.1,0,4,0, 214.24, 4
72190610
 
#74

Acorn PharmaTech: ACN-C000789
AK Scientific: 6022AA
Ark Pharm Building Blocks: AK128451
Chembo Pharma: KB-244767
Enamine Building Blocks: EN300-173989...10 total

ref: mol2, SDF, SMILES, flexibase
1.06,2.06,-37.23,1,4,-1, 189.976, 1
mid: mol2, SDF, SMILES, flexibase
1.06,2.09,-45.76,1,4,-1, 189.976, 1
72190609
 
#75

Acorn PharmaTech: ACN-P000457
Ark Pharm Building Blocks: AK139604
Alfa Chemistry (Depleted): ACM1269291782
ref: mol2, SDF, SMILES, flexibase
2.52,7.19,-13,0,3,0, 239.253, 2
11692444
 
#76

eMolecules: 15314496
Molport: MolPort-008-000-011
Acorn PharmaTech: ACN-P000738, ACN-P000737
AKOS: AKOS004900705
Ark Pharm Building Blocks: AK139731...20 total

ref: mol2, SDF, SMILES, flexibase
1.64,3,-8.62,1,5,0, 218.212, 3
ref: mol2, SDF, SMILES, flexibase
1.18,4.99,-9.36,1,5,0, 218.212, 3

Similar to: 34538506, 34538507, 34538594, 34538619, 34538633, ... 7 in total.
6494333
 
#77

eMolecules: 43482707, 5834012
Molport: MolPort-020-174-861, MolPort-002-897-302
Acorn PharmaTech: ACN-C000736
AK Scientific: W6682
Aldrich CPR: CDS003364|ALDRICH...35 total

ref: mol2, SDF, SMILES, flexibase
-0.43,1.59,-6.99,0,5,0, 156.141, 2
ref: mol2, SDF, SMILES, flexibase
-0.10,1.44,-9.52,1,5,0, 156.141, 2
mid: mol2, SDF, SMILES, flexibase
0.36,-0.62,-11.17,1,5,0, 156.141, 2
72190608
 
#78

Acorn PharmaTech: ACN-P000700
Ark Pharm Building Blocks: AK140728
PubChem: 56956204
ref: mol2, SDF, SMILES, flexibase
0.29,2.15,-8.89,2,4,0, 155.201, 1
72190607
 
#79

Acorn PharmaTech: ACN-P000685
Ark Pharm Building Blocks: AK139716
PubChem: 56956203
SureChEMBL: SCHEMBL12571565
Enamine BB Make on Demand: BBV-44268414...5 total

ref: mol2, SDF, SMILES, flexibase
0.93,5.56,-8.38,0,5,0, 217.228, 4
72190606
 
#80

Acorn PharmaTech: ACN-P000683
Ark Pharm Building Blocks: AK139714
PubChem: 14994518
ref: mol2, SDF, SMILES, flexibase
2.15,7.38,-8.98,0,4,0, 234.23, 4
72190605
 
#81

Acorn PharmaTech: ACN-P000680
Ark Pharm Building Blocks: AK139711
PubChem: 53419304
ref: mol2, SDF, SMILES, flexibase
2.77,8.18,-8.95,0,4,0, 295.136, 4
57575045
 
#82

Acorn PharmaTech: ACN-P000677
PubChem: 53419307
ref: mol2, SDF, SMILES, flexibase
2.12,7.48,-10.77,0,4,0, 234.23, 4
72190604
 
#83

Acorn PharmaTech: ACN-P000674
SureChEMBL: SCHEMBL12571590
Enamine BB Make on Demand: BBV-44671425
ref: mol2, SDF, SMILES, flexibase
0.40,7.03,-12.57,0,6,0, 218.216, 4
72190603
 
#84

eMolecules: 36728483
Molport: MolPort-023-313-722
Acorn PharmaTech: ACN-P000655
AK Scientific: 7434AA
Anward: ANW-74855...15 total

ref: mol2, SDF, SMILES, flexibase
1.25,4.75,-7.1,0,3,0, 149.197, 1
72190602
 
#85

Acorn PharmaTech: ACN-000578
PubChem: 56956189
ref: mol2, SDF, SMILES, flexibase
2.36,5.19,-8.71,2,5,0, 290.161, 4
72190601
 
#86

Acorn PharmaTech: ACN-000577
PubChem: 56956188
ref: mol2, SDF, SMILES, flexibase
2.95,6.11,-6.22,0,4,0, 275.146, 4
72190600
 
#87

Acorn PharmaTech: ACN-000576
PubChem: 56956187
ref: mol2, SDF, SMILES, flexibase
2.82,6.05,-6.07,0,4,0, 230.695, 4
72190599
 
#88

Acorn PharmaTech: ACN-000573
ref: mol2, SDF, SMILES, flexibase
1.11,1.84,-8.16,3,5,0, 234.053, 3
mid: mol2, SDF, SMILES, flexibase
1.11,1.85,-5.26,3,5,0, 234.053, 3
72190598
 
#89

Acorn PharmaTech: ACN-000572
AK Scientific: 6746AA
Ark Pharm Building Blocks: AK134617
Chembo Pharma: KB-253604
Fluorochem: 318801...9 total

ref: mol2, SDF, SMILES, flexibase
1.70,3.06,-5.31,1,4,0, 219.038, 3
mid: mol2, SDF, SMILES, flexibase
1.70,3.06,-4.49,1,4,0, 219.038, 3
72190597
 
#90

Acorn PharmaTech: ACN-000571
PubChem: 10888430
ref: mol2, SDF, SMILES, flexibase
1.57,2.97,-5.37,1,4,0, 174.587, 3
mid: mol2, SDF, SMILES, flexibase
1.57,2.98,-4.52,1,4,0, 174.587, 3
hi: mol2, SDF, SMILES, flexibase
1.57,2.82,-32.59,0,4,-1, 173.579, 3
72190596
 
#91

Acorn PharmaTech: ACN-000570
Ark Pharm Building Blocks: AK142879
PubChem: 56956184
ref: mol2, SDF, SMILES, flexibase
1.05,2.52,-5.25,1,4,0, 158.132, 3
mid: mol2, SDF, SMILES, flexibase
1.05,2.36,-4.47,1,4,0, 158.132, 3
72190595
 
#92

Acorn PharmaTech: ACN-000568
Ark Pharm Building Blocks: AK139675
Alfa Chemistry (Depleted): ACM1269292547
PubChem: 56956183
ref: mol2, SDF, SMILES, flexibase
2.19,4.92,-5.29,0,3,0, 228.093, 1
72190594
 
#93

Acorn PharmaTech: ACN-000564
PubChem: 56956182
ref: mol2, SDF, SMILES, flexibase
0.74,2.52,-6.62,1,4,0, 158.132, 3
mid: mol2, SDF, SMILES, flexibase
0.74,2.52,-12.36,1,4,0, 158.132, 3
72190593
 
#94

Acorn PharmaTech: ACN-000562
AK Scientific: 6310AA
Anward: ANW-69789
Ark Pharm Building Blocks: AK100938
BePharm Building Blocks: B241844...12 total

ref: mol2, SDF, SMILES, flexibase
1.39,3,-5.22,1,4,0, 219.038, 3
mid: mol2, SDF, SMILES, flexibase
1.39,3.01,-9.69,1,4,0, 219.038, 3
72190592
 
#95

Acorn PharmaTech: ACN-000551
Ark Pharm Building Blocks: AK139672
Alfa Chemistry (Depleted): ACM1269292514
PubChem: 56956180
ref: mol2, SDF, SMILES, flexibase
0.86,4.09,-11.98,0,4,0, 226.161, 2
72190591
 
#96

Acorn PharmaTech: ACN-000550
Ark Pharm Building Blocks: AK139671
PubChem: 56956179
ref: mol2, SDF, SMILES, flexibase
-0.33,3.11,-11.28,2,5,0, 173.179, 1
72190590
 
#97

Acorn PharmaTech: ACN-000549
Ark Pharm Building Blocks: AK139670
Collaborative Drug Discovery: 958673
PubChem: 68991305
SureChEMBL: SCHEMBL4294859...7 total

ref: mol2, SDF, SMILES, flexibase
0.61,4.4,-6.93,0,3,0, 157.176, 1
lo: mol2, SDF, SMILES, flexibase
0.61,4.85,-40.18,1,3,1, 158.184, 1
72190589
 
#98

Acorn PharmaTech: ACN-000548
Ark Pharm Building Blocks: AK139669
PubChem: 56956178
SureChEMBL: SCHEMBL10817967
ref: mol2, SDF, SMILES, flexibase
0.70,4.34,-7.28,0,3,0, 171.203, 1
lo: mol2, SDF, SMILES, flexibase
0.70,4.83,-37.11,1,3,1, 172.211, 1
72190588
 
#99

Acorn PharmaTech: ACN-000547
SureChEMBL: SCHEMBL6449580
ref: mol2, SDF, SMILES, flexibase
-0.14,3.73,-10.47,0,4,0, 158.164, 1
72190587
 
#100

Acorn PharmaTech: ACN-000546
Ark Pharm Building Blocks: AK139668
Alfa Chemistry (Depleted): ACM1269292070
PubChem: 56956177
ref: mol2, SDF, SMILES, flexibase
-0.05,3.68,-10.9,0,4,0, 172.191, 1

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 596 ) limit 0,100

Smiles were